SCHEMBL13119596

SCHEMBL13119596

CC(=O)N1CC2C[C@H]2C1C(=O)NCc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.52
TSHR P16473 4/20 0.52
CYP2C9 P11712 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 2/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP17A1 P05093 1/20 0.46
CYP19A1 P11511 1/20 0.46
HSD11B1 P28845 1/20 0.46
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
P2RX7 Q99572 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8096462 1.00 CYP2C19 (0.52) CYP2C19TSHRCYP2C9ALDH1A1KMT2A
SCHEMBL8100779 0.88 TSHR (0.52) CYP2C19TSHRCYP2C9ALDH1A1KMT2A
SCHEMBL14669652 0.79 ALDH1A1 (0.55) CYP2C19TSHRCYP2C9ALDH1A1KMT2A
SCHEMBL8100774 0.76 CYP2C19 (0.50) CYP2C19TSHRCYP2C9ALDH1A1KMT2A
SCHEMBL3577280 0.76 CFD (0.48) CYP2C19TSHRCYP2C9ALDH1A1CYP3A4
SCHEMBL3573635 0.75 TSHR (0.49) CYP2C19TSHRCYP2C9ALDH1A1KMT2A
SCHEMBL3573633 0.75 TSHR (0.49) CYP2C19TSHRCYP2C9ALDH1A1KMT2A
SCHEMBL8102978 0.74 TSHR (0.61) CYP2C19TSHRCYP2C9ALDH1A1KMT2A
SCHEMBL3570922 0.74 CFD (0.41) CYP2C19TSHRCYP2C9ALDH1A1KMT2A
SCHEMBL12320479 0.74 ALDH1A1 (0.52) CYP2C19TSHRCYP2C9ALDH1A1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309596-B2 Kallikrein 7 modulators NOVARTIS AG (CH) 2012-11-13 US disclosed
US-8309596-B2 Kallikrein 7 modulators NOVARTIS AG (CH) 2012-11-13 US disclosed
US-20100256144-A1 Kallikrein 7 modulators NOVARTIS AG (CH) 2010-10-07 US disclosed
US-20100256144-A1 Kallikrein 7 modulators NOVARTIS AG (CH) 2010-10-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 CYP2C19 3214/4885TSHR 2691/4885CYP2C9 3235/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.